Comparative investigation of the reactivities between catalysts [Cp*RhCl2]2 and [Cp*IrCl2]2 in the oxidative annulation of isoquinolones with alkynes: a combined experimental and computational study

Experimental and Theoretical Studies on Rhodium-Catalyzed Coupling of Benzamides with 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Fluorinated Heterocycles

(2017) Jia-Qiang Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mild metal-catalyzed C–H activation: examples and concepts

(2016) T. Gensch et al.   CHEMICAL SOCIETY REVIEWS

Mechanism of Rhodium-Catalyzed Formyl Activation: A Computational Study

(2016) Xiaoling Luo et al.   JOURNAL OF ORGANIC CHEMISTRY

Rh(III)-Catalyzed Cascade Oxidative Annulation of Benzoylacetonitrile with Alkynes: Computational Study of Mechanism, Reactivity, and Regioselectivity

(2016) Xiaoning Fu et al.   JOURNAL OF ORGANIC CHEMISTRY

Computational Exploration of RhIII/RhV and RhIII/RhI Catalysis in Rhodium(III)-Catalyzed C–H Activation Reactions of N-Phenoxyacetamides with Alkynes

(2016) Yun-Fang Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Why is the Ir(III)-Mediated Amido Transfer Much Faster Than the Rh(III)-Mediated Reaction? A Combined Experimental and Computational Study

(2016) Yoonsu Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iridium- and rhodium-catalyzed C–H activation and formyl arylation of benzaldehydes under chelation-assistance

(2016) Xifa Yang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Transition-Metal-Catalyzed Direct Addition of Unactivated C–H Bonds to Polar Unsaturated Bonds

(2015) Lei Yang et al.   CHEMICAL REVIEWS

The Mechanism of NO Bond Cleavage in Rhodium-Catalyzed CH Bond Functionalization of QuinolineN-oxides with Alkynes: A Computational Study

(2015) Yingzi Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

Dinuclear versus mononuclear pathways in zinc mediated nucleophilic addition: a combined experimental and DFT study

(2015) Xiaotian Qi et al.   DALTON TRANSACTIONS

Pyridine N-Oxide vs Pyridine Substrates for Rh(III)-Catalyzed Oxidative C–H Bond Functionalization

(2015) Sharon R. Neufeldt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental and DFT Studies Explain Solvent Control of C–H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles

(2015) David L. Davies et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions

(2015) Gui-Juan Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evolution of C–H Bond Functionalization from Methane to Methodology

(2015) John F. Hartwig   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iridium- and Rhodium-Catalyzed C–H Activation and Formyl Alkynylation of Benzaldehydes under Chelation-Assistance

(2015) He Wang et al.   ORGANIC LETTERS

Silver Migration Facilitates Isocyanide-Alkyne [3 + 2] Cycloaddition Reactions: Combined Experimental and Theoretical Study

(2015) Xiaotian Qi et al.   ACS Catalysis

Iridium Catalyzed Carbocyclizations: Efficient (5+2) Cycloadditions of Vinylcyclopropanes and Alkynes

(2014) Michaela-Christina Melcher et al.   CHEMISTRY-A EUROPEAN JOURNAL

Carbon-Centered Radical Addition to OC of Amides or Esters as a Route to CO Bond Formations

(2014) Dong Liu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Combined Experimental and Computational Investigations of Rhodium-Catalysed CH Functionalisation of Pyrazoles with Alkenes

(2014) Andrés G. Algarra et al.   CHEMISTRY-A EUROPEAN JOURNAL

Combined Experimental and Computational Investigations of Rhodium- and Ruthenium-Catalyzed C–H Functionalization of Pyrazoles with Alkynes

(2014) Andrés G. Algarra et al.   JOURNAL OF ORGANIC CHEMISTRY

Long-Range C–H Bond Activation by RhIII-Carboxylates

(2014) Matthew E. O’Reilly et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rh(III)- and Ir(III)-Catalyzed C–H Alkynylation of Arenes under Chelation Assistance

(2014) Fang Xie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical Study on Iridacycle and Rhodacycle Formation via C–H Activation of Phenyl Imines

(2014) Jing Li et al.   ORGANOMETALLICS

Metal control of selectivity in acetate-assisted C–H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)–H bonds at Ir and Rh

(2014) Kevin J. T. Carr et al.   Chemical Science

Carboxylate-Assisted Ruthenium-Catalyzed Alkyne Annulations by C–H/Het–H Bond Functionalizations

(2013) Lutz Ackermann   ACCOUNTS OF CHEMICAL RESEARCH

Rhodium- and Iridium-Catalyzed Dehydrogenative Cyclization through Double C–H Bond Cleavages To Produce Fluorene Derivatives

(2013) Masaki Itoh et al.   JOURNAL OF ORGANIC CHEMISTRY

Stability and Dynamic Processes in 16VE Iridium(III) Ethyl Hydride and Rhodium(I) σ-Ethane Complexes: Experimental and Computational Studies

(2013) Marc D. Walter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ir(III)-Catalyzed Mild C–H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source

(2013) Jaeyune Ryu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Investigations of the Rhodium Catalyzed Propargylic CH Activation

(2013) Urs Gellrich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C–H bond activation enables the rapid construction and late-stage diversification of functional molecules

(2013) Joanna Wencel-Delord et al.   Nature Chemistry

CH Bond Functionalization: Emerging Synthetic Tools for Natural Products and Pharmaceuticals

(2012) Junichiro Yamaguchi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ruthenium(II)-Catalyzed C–H Bond Activation and Functionalization

(2012) Percia Beatrice Arockiam et al.   CHEMICAL REVIEWS

From C(sp2)–H to C(sp3)–H: systematic studies on transition metal-catalyzed oxidative C–C formation

(2012) Bi-Jie Li et al.   CHEMICAL SOCIETY REVIEWS

C–C, C–O and C–N bond formation via rhodium(iii)-catalyzed oxidative C–H activation

(2012) Guoyong Song et al.   CHEMICAL SOCIETY REVIEWS

Investigation and Comparison of the Mechanistic Steps in the [(Cp*MCl2)2] (Cp*=C5Me5; M=Rh, Ir)-Catalyzed Oxidative Annulation of Isoquinolones with Alkynes

(2012) Nuancheng Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure Methods

(2012) Yan Zhao et al.   Journal of Chemical Theory and Computation

High-valent organometallic copper and palladium in catalysis

(2012) Amanda J. Hickman et al.   NATURE

Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory

(2012) Roberto Peverati et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Rhodium Catalyzed Chelation-Assisted C–H Bond Functionalization Reactions

(2011) Denise A. Colby et al.   ACCOUNTS OF CHEMICAL RESEARCH

Borylation and Silylation of C–H Bonds: A Platform for Diverse C–H Bond Functionalizations

(2011) John F. Hartwig   ACCOUNTS OF CHEMICAL RESEARCH

Catalytic Dehydrogenative Cross-Coupling: Forming Carbon−Carbon Bonds by Oxidizing Two Carbon−Hydrogen Bonds

(2011) Charles S. Yeung et al.   CHEMICAL REVIEWS

Carboxylate-Assisted Transition-Metal-Catalyzed C−H Bond Functionalizations: Mechanism and Scope

(2011) Lutz Ackermann   CHEMICAL REVIEWS

Towards mild metal-catalyzed C–H bond activation

(2011) Joanna Wencel-Delord et al.   CHEMICAL SOCIETY REVIEWS

Ruthenium-Catalyzed Isoquinolone Synthesis through CH Activation Using an Oxidizing Directing Group

(2011) Bin Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

On the Accuracy of DFT Methods in Reproducing Ligand Substitution Energies for Transition Metal Complexes in Solution: The Role of Dispersive Interactions

(2011) Heiko Jacobsen et al.   CHEMPHYSCHEM

How Important Is Backbonding in Metal Complexes Containing N-Heterocyclic Carbenes? Structural and NBO Analysis

(2011) Aleix Comas-Vives et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

Rhodium(III)-Catalyzed Heterocycle Synthesis Using an Internal Oxidant: Improved Reactivity and Mechanistic Studies

(2011) Nicolas Guimond et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

Oxidative Coupling of Aromatic Substrates with Alkynes and Alkenes under Rhodium Catalysis

(2010) Tetsuya Satoh et al.   CHEMISTRY-A EUROPEAN JOURNAL

Accurate modelling of Pd(0) + PhX oxidative addition kinetics

(2010) Claire L. McMullin et al.   DALTON TRANSACTIONS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions

(2010) Richard Lonsdale et al.   Journal of Physical Chemistry Letters

Rhodium(III)-Catalyzed Isoquinolone Synthesis: The N−O Bond as a Handle for C−N Bond Formation and Catalyst Turnover

(2010) Nicolas Guimond et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rhodium-Catalyzed Oxidative Cycloaddition of Benzamides and Alkynes via C−H/N−H Activation

(2010) Todd K. Hyster et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C−H Activation of Phenyl Imines and 2-Phenylpyridines with [Cp*MCl2]2(M = Ir, Rh): Regioselectivity, Kinetics, and Mechanism

(2009) Ling Li et al.   ORGANOMETALLICS